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5-heptyl-2-(3-methylbutylsulfanyl)-6-phenyl-1,3-diazinan-4-one

Systemtic Name:	5-heptyl-2-(3-methylbutylsulfanyl)-6-phenyl-1,3-diazinan-4-one
Openeye Name:	5-heptyl-2-isopentylsulfanyl-6-phenyl-hexahydropyrimidin-4-one
CAS Name:	5-heptyl-2-(3-methylbutylthio)-6-phenyl-1,3-diazinan-4-one
IUPAC Name:	5-heptyl-2-(3-methylbutylsulfanyl)-6-phenyl-1,3-diazinan-4-one
Traditional Name:	5-heptyl-2-(isoamylthio)-6-phenyl-hexahydropyrimidin-4-one
Formula:	C₂₂H₃₆N₂OS
MolecularWeight:	376.59904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(NC(NC1=O)SCCC(C)C)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC1C(NC(NC1=O)SCCC(C)C)C2=CC=CC=C2

InChI

InChI=1S/C22H36N2OS/c1-4-5-6-7-11-14-19-20(18-12-9-8-10-13-18)23-22(24-21(19)25)26-16-15-17(2)3/h8-10,12-13,17,19-20,22-23H,4-7,11,14-16H2,1-3H3,(H,24,25)

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